Self-driving laboratories for chemistry and materials science

G Tom, SP Schmid, SG Baird, Y Cao, K Darvish… - Chemical …, 2024 - ACS Publications
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

[HTML][HTML] Machine learning for advanced energy materials

Y Liu, OC Esan, Z Pan, L An - Energy and AI, 2021 - Elsevier
The screening of advanced materials coupled with the modeling of their quantitative
structural-activity relationships has recently become one of the hot and trending topics in …

Gaussian processes for autonomous data acquisition at large-scale synchrotron and neutron facilities

MM Noack, PH Zwart, DM Ushizima, M Fukuto… - Nature Reviews …, 2021 - nature.com
The execution and analysis of complex experiments are challenged by the vast
dimensionality of the underlying parameter spaces. Although an increase in data-acquisition …

Bayesian optimization algorithms for accelerator physics

R Roussel, AL Edelen, T Boltz, D Kennedy… - … review accelerators and …, 2024 - APS
Accelerator physics relies on numerical algorithms to solve optimization problems in online
accelerator control and tasks such as experimental design and model calibration in …

Autonomous discovery of emergent morphologies in directed self-assembly of block copolymer blends

GS Doerk, A Stein, S Bae, MM Noack, M Fukuto… - Science …, 2023 - science.org
The directed self-assembly (DSA) of block copolymers (BCPs) is a powerful approach to
fabricate complex nanostructure arrays, but finding morphologies that emerge with changes …

Data-augmented modeling for yield strength of refractory high entropy alloys: A Bayesian approach

B Vela, D Khatamsaz, C Acemi, I Karaman, R Arróyave - Acta Materialia, 2023 - Elsevier
Refractory high entropy alloys (RHEAs) have gained significant attention in recent years as
potential replacements for Ni-based superalloys in gas turbine applications. Improving their …

Exploring chemistry and additive manufacturing design spaces: a perspective on computationally-guided design of printable alloys

S Sheikh, B Vela, V Attari, X Huang… - Materials Research …, 2024 - Taylor & Francis
Additive manufacturing (AM), especially Laser Powder-Bed Fusion (L-PBF), provides alloys
with unique properties, but faces printability challenges like porosity and cracks. To address …

Machine learning for analyses and automation of structural characterization of polymer materials

S Lu, A Jayaraman - Progress in Polymer Science, 2024 - Elsevier
Structural characterization of polymer materials is a major step in the process of creating
complex materials design-structural-property relationships. With growing interests in artificial …

When not to use machine learning: A perspective on potential and limitations

MR Carbone - MRS Bulletin, 2022 - Springer
The unparalleled success of artificial intelligence (AI) in the technology sector has catalyzed
an enormous amount of research in the scientific community. It has proven to be a powerful …

Accelerating materials discovery for polymer solar cells: data-driven insights enabled by natural language processing

P Shetty, A Adeboye, S Gupta, C Zhang… - Chemistry of …, 2024 - ACS Publications
We present a simulation of various active learning strategies for the discovery of polymer
solar cell donor/acceptor pairs using data extracted from the literature spanning∼ 20 years …